acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium)

C79H89ClN16O13Y4-8 — CID 157068786

About acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium)

acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium) (PubChem CID 157068786) has the molecular formula C79H89ClN16O13Y4-8 and a molecular weight of 1861.76 g/mol. Its IUPAC name is acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium).

Molecular Properties

• Compound Name: acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium)
• PubChem CID: 157068786
• Molecular Formula: C79H89ClN16O13Y4-8
• Molecular Weight: 1861.76 g/mol
• Exact Mass: 1860.28
• IUPAC Name: acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium)
• SMILES: CC(=O)O.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)[n-]c12.Cc1cc2c(Cl)c([N+](=O)[O-])cnc2cc1-c1c(C)noc1C.Cc1cc2c([NH-])c(N)cnc2cc1-c1c(C)noc1C.Cc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)[n-]c12.O=CC1CCOCC1.[CH3-].[CH3-].[CH3-].[CH3-].[NH2-].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C21H21N4O3.C16H14N4O2.C15H12ClN3O3.C15H15N4O.C6H10O2.C2H4O2.4CH3.H2N.4Y/c1-11-19(12(2)28-25-11)15-8-16-14(9-18(15)26-3)20-17(10-22-16)23-21(24-20)13-4-6-27-7-5-13;1-7-4-11-12(17-6-13-15(11)19-16(21)18-13)5-10(7)14-8(2)20-22-9(14)3;1-7-4-11-12(17-6-13(15(11)16)19(20)21)5-10(7)14-8(2)18-22-9(14)3;1-7-4-11-13(18-6-12(16)15(11)17)5-10(7)14-8(2)19-20-9(14)3;7-5-6-1-3-8-4-2-6;1-2(3)4;;;;;;;;;/h8-10,13H,4-7H2,1-3H3;4-6H,1-3H3,(H2,17,18,19,21);4-6H,1-3H3;4-6H,16H2,1-3H3,(H-,17,18);5-6H,1-4H2;1H3,(H,3,4);4*1H3;1H2;;;;/q-1;;;-1;;;5*-1;;;;/p-1
• InChIKey: SYXFYFKMLKQEHC-UHFFFAOYSA-M
• XLogP: 18.20
• TPSA: 438.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1861.76
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium)?

The IUPAC name of acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium) (CID 157068786) is acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium).

What is the SMILES notation for acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium)?

The canonical SMILES for acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium) is CC(=O)O.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)[n-]c12.Cc1cc2c(Cl)c([N+](=O)[O-])cnc2cc1-c1c(C)noc1C.Cc1cc2c([NH-])c(N)cnc2cc1-c1c(C)noc1C.Cc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)[n-]c12.O=CC1CCOCC1.[CH3-].[CH3-].[CH3-].[CH3-].[NH2-].[Y].[Y].[Y].[Y].

What is the InChIKey of acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium)?

The InChIKey is SYXFYFKMLKQEHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21N4O3.C16H14N4O2.C15H12ClN3O3.C15H15N4O.C6H10O2.C2H4O2.4CH3.H2N.4Y/c1-11-19(12(2)28-25-11)15-8-16-14(9-18(15)26-3)20-17(10-22-16)23-21(24-20)13-4-6-27-7-5-13;1-7-4-11-12(17-6-13-15(11)19-16(21)18-13)5-10(7)14-8(2)20-22-9(14)3;1-7-4-11-12(17-6-13(15(11)16)19(20)21)5-10(7)14-8(2)18-22-9(14)3;1-7-4-11-13(18-6-12(16)15(11)17)5-10(7)14-8(2)19-20-9(14)3;7-5-6-1-3-8-4-2-6;1-2(3)4;;;;;;;;;/h8-10,13H,4-7H2,1-3H3;4-6H,1-3H3,(H2,17,18,19,21);4-6H,1-3H3;4-6H,16H2,1-3H3,(H-,17,18);5-6H,1-4H2;1H3,(H,3,4);4*1H3;1H2;;;;/q-1;;;-1;;;5*-1;;;;/p-1.

What are the key properties of acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium)?

acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium) has a molecular weight of 1861.76 g/mol, XLogP of 18.20, 8 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;[3-amino-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylquinolin-4-yl]azanide;azanide;carbanide;4-(4-chloro-6-methyl-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3H-imidazo[4,5-c]quinolin-1-id-2-one;4-[8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-1-id-7-yl]-3,5-dimethyl-1,2-oxazole;oxane-4-carbaldehyde;tetrakis(yttrium) is sourced from PubChem (CID 157068786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).